1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one

C13H25NO — CID 116567943

IUPAC1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
SMILESCCC1(C(=O)CCC(C)C)CCNCC1
InChIInChI=1S/C13H25NO/c1-4-13(7-9-14-10-8-13)12(15)6-5-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyNBWMHPXTHHDAEX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one

1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one (PubChem CID 116567943) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
PubChem CID116567943
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
SMILESCCC1(C(=O)CCC(C)C)CCNCC1
InChIInChI=1S/C13H25NO/c1-4-13(7-9-14-10-8-13)12(15)6-5-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyNBWMHPXTHHDAEX-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406
4-methyl-1-(1-methylcyclopentyl)pentan-1-one
CID 114966745
4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
CID 63144993
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
3-methylbutyl 4-propylpiperidine-4-carboxylate
CID 63125909
2-cyclohexyl-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568088

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one (CID 116567943) is 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one is CCC1(C(=O)CCC(C)C)CCNCC1.
What is the InChIKey of 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one?
The InChIKey is NBWMHPXTHHDAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(7-9-14-10-8-13)12(15)6-5-11(2)3/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one?
1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one is sourced from PubChem (CID 116567943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).